%chk=000065085.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065085

0 1
 O   -2.275100     -0.3326000       1.061100    
 O   -1.175600       2.237200      -1.183700    
 O   -3.499800       2.274400      0.2404000    
 O   -4.006300      -2.441600      0.4105000    
 O    3.730200       2.477200      0.4574000    
 N  -3.9500002E-02 -0.3384000      0.2733000    
 N    1.166600      -2.190800     -0.2508000    
 N    1.774800       1.290800      0.4156000    
 N    3.892400      0.2546000     -1.6400000E-02
 N    4.157800      -2.064900     -0.5281000    
 C   -1.752400      0.9966000     -0.8288000    
 C   -1.218600      0.4606000      0.4902000    
 C   -3.235400       1.114200     -0.5477000    
 C   -3.493400     -0.1101000      0.3187000    
 C   -3.794100      -1.366600     -0.4875000    
 C    1.255100      0.1276000      0.2321000    
 C  -1.9600000E-02  -1.678500     -2.3800001E-02
 C    2.026400      -1.107700     -0.1060000    
 C    3.354100      -1.002900     -0.2219000    
 C    3.152300       1.400800      0.2954000    
 H   -1.586100      0.2893000      -1.650500    
 H  -0.9922000       1.268900       1.195900    
 H   -3.852800       1.175100      -1.447600    
 H   -4.286300      5.9500001E-02   1.056000    
 H   -2.966100      -1.639100      -1.148000    
 H   -4.698600      -1.231400      -1.088900    
 H  -0.2166000       2.100500      -1.266400    
 H  -0.9687000      -2.229400     -4.9800001E-02
 H   -3.040400       2.190300       1.092500    
 H   -4.202600      -3.228700     -0.1257000    
 H    4.900800      0.3404000     -0.1030000    
 H    3.755300      -2.981500     -0.6782000    
 H    5.156800      -1.923400     -0.6039000    


%chk=000065085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065085

0 1
O -2.301429 -0.982768 0.590850
O -0.934772 2.269786 -0.446189
O -3.366359 2.140859 0.566901
O -4.816116 -2.289104 -0.149966
O 3.208025 2.649428 -0.869517
N 0.044477 -0.723492 0.443361
N 1.599093 -2.407976 0.548627
N 1.474163 1.168243 -0.233515
N 3.787525 0.425289 -0.461111
N 4.537644 -1.828327 -0.085335
C -1.541723 0.969373 -0.572201
C -1.226603 0.000724 0.602171
C -3.079826 1.106810 -0.422375
C -3.546047 -0.264267 0.132209
C -4.273618 -1.139480 -0.881780
C 1.258139 -0.130601 0.100720
C 0.305346 -2.087932 0.707523
C 2.205348 -1.192084 0.174249
C 3.547101 -0.889909 -0.125202
C 2.784798 1.512131 -0.536435
H -1.286719 0.464549 -1.528017
H -1.210224 0.570589 1.555568
H -3.558119 1.356639 -1.390326
H -4.189467 -0.098788 1.014411
H -3.570714 -1.458341 -1.680821
H -5.091756 -0.537749 -1.334708
H 0.088216 2.113719 -0.394051
H -0.495495 -2.764870 0.990414
H -2.624532 2.806904 0.472639
H -5.234715 -2.919927 -0.787412
H 4.729170 0.753720 -0.696129
H 4.270331 -2.777700 0.175652
H 5.511259 -1.625046 -0.297804


